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Title: X-Ray Structure Investigation of Sr{sub 3}NbGa{sub 3}Si{sub 2}O{sub 14} Langasite Family Crystal

Abstract

An accurate structure analysis of Sr{sub 3}NbGa{sub 3}Si{sub 2}O{sub 14} single crystals, belonging to the langasite family, has been performed. Two datasets are obtained on an Xcalibur S diffractometer equipped with a CCD detector. The structure is been refined using an averaged dataset: sp. gr. P 321, Z = 1, 295 K, sin θ/λ ≤ 1.35 Å{sup –1}, a = 8.2797(3) Å, c = 5.0774(5) Å; the agreement factors between the model and experiment are found to be R/wR = 0.76/0.64% and Δρ{sub min}/Δρ{sub max} =–0.21/0.17 e/Å{sup 3} for 3820 independent ref lections. The Sr{sub 3}NbGa{sub 3}Si{sub 2}O{sub 14} and Sr{sub 3}NbFe{sub 3}Si{sub 2}O{sub 14} structures are compared, and the role of magnetic ions in the predicted P321 → P3 phase transition is analyzed.

Authors:
 [1]
  1. Russian Academy of Sciences, Shubnikov Institute of Crystallography, Federal Scientific Research Centre “Crystallography and Photonics,” (Russian Federation)
Publication Date:
OSTI Identifier:
22758248
Resource Type:
Journal Article
Journal Name:
Crystallography Reports
Additional Journal Information:
Journal Volume: 63; Journal Issue: 3; Other Information: Copyright (c) 2018 Pleiades Publishing, Inc.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1063-7745
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CHARGE-COUPLED DEVICES; COMPARATIVE EVALUATIONS; DATASETS; DIFFRACTOMETERS; IONS; MONOCRYSTALS; PHASE TRANSFORMATIONS; STRONTIUM COMPOUNDS; X RADIATION

Citation Formats

Dudka, A. P. X-Ray Structure Investigation of Sr{sub 3}NbGa{sub 3}Si{sub 2}O{sub 14} Langasite Family Crystal. United States: N. p., 2018. Web. doi:10.1134/S1063774518030070.
Dudka, A. P. X-Ray Structure Investigation of Sr{sub 3}NbGa{sub 3}Si{sub 2}O{sub 14} Langasite Family Crystal. United States. doi:10.1134/S1063774518030070.
Dudka, A. P. Tue . "X-Ray Structure Investigation of Sr{sub 3}NbGa{sub 3}Si{sub 2}O{sub 14} Langasite Family Crystal". United States. doi:10.1134/S1063774518030070.
@article{osti_22758248,
title = {X-Ray Structure Investigation of Sr{sub 3}NbGa{sub 3}Si{sub 2}O{sub 14} Langasite Family Crystal},
author = {Dudka, A. P.},
abstractNote = {An accurate structure analysis of Sr{sub 3}NbGa{sub 3}Si{sub 2}O{sub 14} single crystals, belonging to the langasite family, has been performed. Two datasets are obtained on an Xcalibur S diffractometer equipped with a CCD detector. The structure is been refined using an averaged dataset: sp. gr. P 321, Z = 1, 295 K, sin θ/λ ≤ 1.35 Å{sup –1}, a = 8.2797(3) Å, c = 5.0774(5) Å; the agreement factors between the model and experiment are found to be R/wR = 0.76/0.64% and Δρ{sub min}/Δρ{sub max} =–0.21/0.17 e/Å{sup 3} for 3820 independent ref lections. The Sr{sub 3}NbGa{sub 3}Si{sub 2}O{sub 14} and Sr{sub 3}NbFe{sub 3}Si{sub 2}O{sub 14} structures are compared, and the role of magnetic ions in the predicted P321 → P3 phase transition is analyzed.},
doi = {10.1134/S1063774518030070},
journal = {Crystallography Reports},
issn = {1063-7745},
number = 3,
volume = 63,
place = {United States},
year = {2018},
month = {5}
}